(2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol

C17H24Cl2O2 — CID 101233917

IUPAC(2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CC[C@@H](C)[C@@H](C(O)c2cc(Cl)ccc2Cl)C1O
InChIInChI=1S/C17H24Cl2O2/c1-9(2)12-6-4-10(3)15(16(12)20)17(21)13-8-11(18)5-7-14(13)19/h5,7-10,12,15-17,20-21H,4,6H2,1-3H3/t10-,12-,15-,16?,17?/m1/s1
InChIKeyNHTGOWOUYSGQJF-AEDXPKRTSA-N
MW331.28 g/mol
LogP4.71
Rot. Bonds3

About (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol

(2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol (PubChem CID 101233917) has the molecular formula C17H24Cl2O2 and a molecular weight of 331.28 g/mol. Its IUPAC name is (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol
PubChem CID101233917
Molecular FormulaC17H24Cl2O2
Molecular Weight331.28 g/mol
Exact Mass330.12
IUPAC Name(2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CC[C@@H](C)[C@@H](C(O)c2cc(Cl)ccc2Cl)C1O
InChIInChI=1S/C17H24Cl2O2/c1-9(2)12-6-4-10(3)15(16(12)20)17(21)13-8-11(18)5-7-14(13)19/h5,7-10,12,15-17,20-21H,4,6H2,1-3H3/t10-,12-,15-,16?,17?/m1/s1
InChIKeyNHTGOWOUYSGQJF-AEDXPKRTSA-N
XLogP4.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol (CID 101233917) is (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol is CC(C)[C@H]1CC[C@@H](C)[C@@H](C(O)c2cc(Cl)ccc2Cl)C1O.
What is the InChIKey of (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol?
The InChIKey is NHTGOWOUYSGQJF-AEDXPKRTSA-N. The full InChI is InChI=1S/C17H24Cl2O2/c1-9(2)12-6-4-10(3)15(16(12)20)17(21)13-8-11(18)5-7-14(13)19/h5,7-10,12,15-17,20-21H,4,6H2,1-3H3/t10-,12-,15-,16?,17?/m1/s1.
What are the key properties of (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol?
(2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol has a molecular weight of 331.28 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-[(2,5-dichlorophenyl)-hydroxymethyl]-3-methyl-6-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 101233917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).